N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline

C12H12N6O — CID 62756480

IUPACN-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCn1cc(CNc2cccc(-c3nnco3)c2)nn1
InChIInChI=1S/C12H12N6O/c1-18-7-11(15-17-18)6-13-10-4-2-3-9(5-10)12-16-14-8-19-12/h2-5,7-8,13H,6H2,1H3
InChIKeyUUCFLRQSUJCVHW-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.48
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline

N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 62756480) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID62756480
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESCn1cc(CNc2cccc(-c3nnco3)c2)nn1
InChIInChI=1S/C12H12N6O/c1-18-7-11(15-17-18)6-13-10-4-2-3-9(5-10)12-16-14-8-19-12/h2-5,7-8,13H,6H2,1H3
InChIKeyUUCFLRQSUJCVHW-UHFFFAOYSA-N
XLogP1.48
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline (CID 62756480) is N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is Cn1cc(CNc2cccc(-c3nnco3)c2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is UUCFLRQSUJCVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-18-7-11(15-17-18)6-13-10-4-2-3-9(5-10)12-16-14-8-19-12/h2-5,7-8,13H,6H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline?
N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 256.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 62756480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).